SCHEMBL3210499

SCHEMBL3210499

CN(C)CCNc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.51
RAB9A P51151 1/20 0.50
CYP2C19 P33261 1/20 0.49
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
GAA P10253 1/20 0.44
FGFR2 P21802 1/20 0.43
KDR P35968 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CDK2 P24941 1/20 0.41
FLT4 P35916 1/20 0.41
NOTUM Q6P988 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3643530 0.79 RAB9A (0.54) RAB9AGAALTA4HCDK2FLT4
SCHEMBL22851453 0.78 RAB9A (0.53) CHRNA7RAB9ACYP2C19CHRNB2CHRNA4
SCHEMBL9640902 0.78 KCNA5 (0.45) RAB9ACHRNB2CHRNA4SMN1; SMN2
SCHEMBL6032869 0.77 CYP2C19 (0.50) CYP2C19GAAHRH3
SCHEMBL171395 0.77 ALDH1A1 (0.56) CYP2C19GAA
SCHEMBL4507702 0.76 LMNA (0.53) RAB9ACYP2C19SMN1; SMN2CDK2FLT4
SCHEMBL7999576 0.76 HDAC3 (0.53) RAB9AGAALTA4HCDK2FLT4
SCHEMBL4572901 0.76 RAB9A (0.50) CHRNA7RAB9AGAALTA4HCDK2
SCHEMBL4383419 0.76 RAB9A (0.50) RAB9AGAALTA4HCDK2FLT4
SCHEMBL15055378 0.76 RAB9A (0.50) RAB9AGAALTA4HCDK2FLT4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-20240092791-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240092791-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA CHRNA7 1784/4885RAB9A 391/4885CYP2C19 1421/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.